Drug Information

Drug ID:  NPD4661
Drug Name:  Propafenone Hydrochloride
Molecular Formula:  C21H27NO3.ClH
Canonical SMILES:  CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O.Cl
Standard InCHI:  InChI=1S/C21H27NO3.ClH/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17;/h3-11,18,22-23H,2,12-16H2,1H3;1H
Standard InCHIKey:  XWIHRGFIPXWGEF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4661

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
Intermediate Similarity 0.8286 NPC136112
Intermediate Similarity 0.8286 NPC141739
Intermediate Similarity 0.8163 NPC231163
Intermediate Similarity 0.8163 NPC318591
Intermediate Similarity 0.8028 NPC320242
Intermediate Similarity 0.8 NPC314329
Intermediate Similarity 0.7786 NPC35744
Intermediate Similarity 0.7786 NPC54243
Intermediate Similarity 0.7714 NPC32298
Intermediate Similarity 0.7703 NPC97870
Intermediate Similarity 0.7703 NPC247018
Intermediate Similarity 0.7703 NPC307123
Intermediate Similarity 0.766 NPC201284
Intermediate Similarity 0.7655 NPC2771
Intermediate Similarity 0.7639 NPC93730
Intermediate Similarity 0.7635 NPC228184
Intermediate Similarity 0.7619 NPC125887
Intermediate Similarity 0.7606 NPC470092
Intermediate Similarity 0.7586 NPC193805
Intermediate Similarity 0.7586 NPC56332
Intermediate Similarity 0.7551 NPC298884
Intermediate Similarity 0.7532 NPC124269
Intermediate Similarity 0.7531 NPC476443
Intermediate Similarity 0.7531 NPC133817
Intermediate Similarity 0.7516 NPC471676
Intermediate Similarity 0.7516 NPC472423
Intermediate Similarity 0.7516 NPC244577
Intermediate Similarity 0.7516 NPC474772
Intermediate Similarity 0.7516 NPC472422
Intermediate Similarity 0.7516 NPC263384
Intermediate Similarity 0.7516 NPC240593
Intermediate Similarity 0.7516 NPC472420
Intermediate Similarity 0.7516 NPC474744
Intermediate Similarity 0.75 NPC158900
Intermediate Similarity 0.75 NPC472628
Intermediate Similarity 0.7484 NPC3779
Intermediate Similarity 0.7484 NPC211466
Intermediate Similarity 0.7484 NPC476182
Intermediate Similarity 0.7484 NPC40086
Intermediate Similarity 0.7484 NPC472627
Intermediate Similarity 0.7484 NPC44721
Intermediate Similarity 0.7484 NPC176869
Intermediate Similarity 0.7484 NPC122828
Intermediate Similarity 0.7483 NPC474264
Intermediate Similarity 0.7482 NPC279916
Intermediate Similarity 0.7469 NPC171651
Intermediate Similarity 0.7469 NPC285623
Intermediate Similarity 0.7469 NPC243171
Intermediate Similarity 0.7469 NPC35567
Intermediate Similarity 0.7468 NPC188879
Intermediate Similarity 0.7468 NPC287068
Intermediate Similarity 0.7467 NPC301717
Intermediate Similarity 0.7453 NPC472421
Intermediate Similarity 0.7452 NPC147145
Intermediate Similarity 0.7451 NPC99854
Intermediate Similarity 0.7436 NPC110228
Intermediate Similarity 0.7436 NPC6407
Intermediate Similarity 0.7436 NPC188243
Intermediate Similarity 0.7432 NPC41721
Intermediate Similarity 0.7432 NPC470841
Intermediate Similarity 0.7432 NPC22783
Intermediate Similarity 0.7423 NPC472583
Intermediate Similarity 0.7423 NPC7989
Intermediate Similarity 0.7423 NPC293286
Intermediate Similarity 0.7423 NPC223701
Intermediate Similarity 0.7423 NPC474000
Intermediate Similarity 0.7421 NPC1940
Intermediate Similarity 0.7421 NPC316769
Intermediate Similarity 0.7421 NPC148011
Intermediate Similarity 0.7419 NPC204546
Intermediate Similarity 0.7415 NPC4164
Intermediate Similarity 0.7415 NPC224657
Intermediate Similarity 0.7407 NPC319910
Intermediate Similarity 0.7407 NPC278476
Intermediate Similarity 0.7407 NPC472580
Intermediate Similarity 0.7407 NPC254412
Intermediate Similarity 0.7407 NPC471677
Intermediate Similarity 0.7407 NPC262039
Intermediate Similarity 0.7407 NPC262038
Intermediate Similarity 0.7405 NPC150408
Intermediate Similarity 0.7405 NPC175504
Intermediate Similarity 0.7405 NPC143896
Intermediate Similarity 0.7405 NPC221432
Intermediate Similarity 0.7405 NPC91560
Intermediate Similarity 0.7405 NPC257097
Intermediate Similarity 0.7405 NPC75049
Intermediate Similarity 0.7405 NPC310130
Intermediate Similarity 0.7405 NPC164980
Intermediate Similarity 0.7405 NPC68104
Intermediate Similarity 0.7405 NPC169591
Intermediate Similarity 0.7405 NPC39329
Intermediate Similarity 0.7405 NPC149026
Intermediate Similarity 0.7403 NPC254741
Intermediate Similarity 0.74 NPC278787
Intermediate Similarity 0.74 NPC7569
Intermediate Similarity 0.7397 NPC328267
Intermediate Similarity 0.7394 NPC469954
Intermediate Similarity 0.7391 NPC89442
Intermediate Similarity 0.7386 NPC125269
Intermediate Similarity 0.7378 NPC470681
Intermediate Similarity 0.7378 NPC99233
Intermediate Similarity 0.7378 NPC477530
Intermediate Similarity 0.7378 NPC477958
Intermediate Similarity 0.7375 NPC472918
Intermediate Similarity 0.7372 NPC265871
Intermediate Similarity 0.7372 NPC470211
Intermediate Similarity 0.7372 NPC222342
Intermediate Similarity 0.7372 NPC20709
Intermediate Similarity 0.7372 NPC477537
Intermediate Similarity 0.7372 NPC329203
Intermediate Similarity 0.7372 NPC140890
Intermediate Similarity 0.7372 NPC225153
Intermediate Similarity 0.7372 NPC310135
Intermediate Similarity 0.7372 NPC150648
Intermediate Similarity 0.7372 NPC274784
Intermediate Similarity 0.7372 NPC11566
Intermediate Similarity 0.7362 NPC473996
Intermediate Similarity 0.7362 NPC475790
Intermediate Similarity 0.7362 NPC477957
Intermediate Similarity 0.7362 NPC138288
Intermediate Similarity 0.7362 NPC244583
Intermediate Similarity 0.7362 NPC10807
Intermediate Similarity 0.7362 NPC31627
Intermediate Similarity 0.7362 NPC476238
Intermediate Similarity 0.7362 NPC56232
Intermediate Similarity 0.7362 NPC327269
Intermediate Similarity 0.7362 NPC150123
Intermediate Similarity 0.7362 NPC216035
Intermediate Similarity 0.7362 NPC161881
Intermediate Similarity 0.7362 NPC217149
Intermediate Similarity 0.7358 NPC142731
Intermediate Similarity 0.7358 NPC124780
Intermediate Similarity 0.7358 NPC87486
Intermediate Similarity 0.7358 NPC197252
Intermediate Similarity 0.7358 NPC306607
Intermediate Similarity 0.7358 NPC4152
Intermediate Similarity 0.7358 NPC279417
Intermediate Similarity 0.7358 NPC473013
Intermediate Similarity 0.7358 NPC209040
Intermediate Similarity 0.7358 NPC473015
Intermediate Similarity 0.7358 NPC236766
Intermediate Similarity 0.7358 NPC208176
Intermediate Similarity 0.7358 NPC62290
Intermediate Similarity 0.7358 NPC49130
Intermediate Similarity 0.7358 NPC326506
Intermediate Similarity 0.7357 NPC53953
Intermediate Similarity 0.7355 NPC476480
Intermediate Similarity 0.7355 NPC259685
Intermediate Similarity 0.7355 NPC84585
Intermediate Similarity 0.7353 NPC129578
Intermediate Similarity 0.7351 NPC141549
Intermediate Similarity 0.7349 NPC469479
Intermediate Similarity 0.7346 NPC105136
Intermediate Similarity 0.7346 NPC473966
Intermediate Similarity 0.7343 NPC171023
Intermediate Similarity 0.7342 NPC32739
Intermediate Similarity 0.7342 NPC324134
Intermediate Similarity 0.7342 NPC167624
Intermediate Similarity 0.7342 NPC296917
Intermediate Similarity 0.7342 NPC166934
Intermediate Similarity 0.7342 NPC78
Intermediate Similarity 0.7342 NPC228504
Intermediate Similarity 0.7342 NPC220998
Intermediate Similarity 0.7342 NPC148757
Intermediate Similarity 0.7342 NPC177354
Intermediate Similarity 0.7342 NPC324436
Intermediate Similarity 0.7342 NPC306829
Intermediate Similarity 0.7342 NPC64915
Intermediate Similarity 0.7342 NPC328164
Intermediate Similarity 0.7342 NPC227579
Intermediate Similarity 0.7342 NPC37496
Intermediate Similarity 0.7342 NPC10937
Intermediate Similarity 0.7342 NPC223500
Intermediate Similarity 0.7342 NPC182852
Intermediate Similarity 0.7342 NPC194432
Intermediate Similarity 0.7342 NPC265040
Intermediate Similarity 0.7342 NPC166482
Intermediate Similarity 0.7342 NPC40833
Intermediate Similarity 0.7342 NPC76372
Intermediate Similarity 0.7342 NPC76338
Intermediate Similarity 0.7342 NPC66515
Intermediate Similarity 0.7342 NPC125855
Intermediate Similarity 0.7342 NPC1089
Intermediate Similarity 0.7342 NPC107572
Intermediate Similarity 0.7342 NPC161506
Intermediate Similarity 0.7338 NPC471316
Intermediate Similarity 0.7338 NPC77955
Intermediate Similarity 0.7333 NPC939
Intermediate Similarity 0.7333 NPC238309
Intermediate Similarity 0.7333 NPC473019
Intermediate Similarity 0.7333 NPC78492
Intermediate Similarity 0.7333 NPC45165
Intermediate Similarity 0.7333 NPC208152
Intermediate Similarity 0.7333 NPC187907
Intermediate Similarity 0.7325 NPC76445
Intermediate Similarity 0.7325 NPC472409
Intermediate Similarity 0.7325 NPC129853
Intermediate Similarity 0.7325 NPC284550
Intermediate Similarity 0.7325 NPC184053
Intermediate Similarity 0.732 NPC292998

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  341.20
ALogP  -1.4537
MLogP  3.33
XLogP  5.517
HDA  3
HBD  2
Rotatable Bonds  13
TPSA  58.56
RO5 Violation  2